Geometry & MOs

Info

ID:	186317
PubChem CID:	77420286
Reduced:	O3N4C20H23 (2)
Stoich.:	A3B4C20D23 (2)
Weight, g/mol:	377.07389
ΔH_f, kcal/mol:	-190.62
Dipole, Da:	2.71
IP(EA), eV:	-8.48(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromophenyl)-5-(1,3-dioxolan-2-ylmethyl)-2-pyrrolidin-2-yl-1H-imidazole

Drug info:

PubChemData

Smile

CC1CC2CCC(N2C(=O)C1NC(=O)OC)C3=NC=C(N3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CN=C(N6)C7CCC8N7C(=O)C(C(C8)C)NC(=O)OC

DOS

IR

Vibrations